Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.34 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.34 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.34 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.34 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.34 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | PDE1A | P54750 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20121531 | 0.95 | KCNH2 (0.69) | KCNH2CYP3A4 | |
| Ganaplacide SCHEMBL1047381 | 0.80 | KCNH2 (1.00) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL1051379 | 0.80 | KCNH2 (0.67) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL30701605 | 0.78 | KCNH2 (0.64) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL30718340 | 0.77 | KCNH2 (0.73) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL30718359 | 0.77 | KCNH2 (0.73) | KCNH2CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL15313628 | 0.77 | KCNH2 (0.93) | KCNH2CYP3A4 | |
| SCHEMBL1050138 | 0.77 | KCNH2 (0.93) | KCNH2CYP3A4 | |
| SCHEMBL2068565 | 0.76 | KCNH2 (0.91) | KCNH2CYP3A4 | |
| SCHEMBL30718360 | 0.76 | KCNH2 (1.00) | KCNH2CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963454-B2 | Compounds and compositions for the treatment of parasitic disease | NOVARTIS AG (CH) | 2018-05-08 | — | — | US | disclosed |